| SpectraBase Compound ID | AoepHr9TQdf |
|---|---|
| InChI | InChI=1S/C63H114N6O26/c1-4-6-8-10-12-14-16-18-42(19-17-15-13-11-9-7-5-2)69(41(3)70)34-37-92-63-60(89)57(86)52(81)43(95-63)38-66(28-20-46(71)64-26-35-90-61-58(87)55(84)53(82)44(93-61)39-67(30-22-48(73)74)31-23-49(75)76)29-21-47(72)65-27-36-91-62-59(88)56(85)54(83)45(94-62)40-68(32-24-50(77)78)33-25-51(79)80/h42-45,52-63,81-89H,4-40H2,1-3H3,(H,64,71)(H,65,72)(H,73,74)(H,75,76)(H,77,78)(H,79,80)/t43-,44-,45+,52-,53-,54+,55+,56-,57+,58-,59+,60-,61-,62+,63-/m1/s1 |
| InChIKey | QLDCEMKXQWIBSA-KLSMLCAOSA-N |
| Mol Weight | 1371.6 g/mol |
| Molecular Formula | C63H114N6O26 |
| Exact Mass | 1370.778278 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Ah4tiHLzbW |
|---|---|
| Name | QLDCEMKXQWIBSA-KLSMLCAOSA-N |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H114N6O26 |
| InChI | InChI=1S/C63H114N6O26/c1-4-6-8-10-12-14-16-18-42(19-17-15-13-11-9-7-5-2)69(41(3)70)34-37-92-63-60(89)57(86)52(81)43(95-63)38-66(28-20-46(71)64-26-35-90-61-58(87)55(84)53(82)44(93-61)39-67(30-22-48(73)74)31-23-49(75)76)29-21-47(72)65-27-36-91-62-59(88)56(85)54(83)45(94-62)40-68(32-24-50(77)78)33-25-51(79)80/h42-45,52-63,81-89H,4-40H2,1-3H3,(H,64,71)(H,65,72)(H,73,74)(H,75,76)(H,77,78)(H,79,80)/t43-,44-,45+,52-,53-,54+,55+,56-,57+,58-,59+,60-,61-,62+,63-/m1/s1 |
| InChIKey | QLDCEMKXQWIBSA-KLSMLCAOSA-N |
| Literature Reference Author | M.DUBBER,A.PATEL,K.SADALAPURE,I.AUMUELLER,T.K.LINDHORST |
| Literature Reference Citation | EUR.J.ORG.CHEM.,5357(2006) |
| Molecular Weight | 1371.623 g/mol |
| Sample ID | 44685 |
| Solvent | D2O |